We have developed a formalism for calculating the line scans of the scanning-tunneling microscopy from the realistic substrate and tip wave functions. The tip wave functions are calculated self-consistently by using a ...

We present a comparative study of the pseudomorphic (Si)6/(Ge)6 and -doped (Si)3(Sb)(Si)2/(Ge)6 superlattices using the self-consistent pseudopotential method. The strained (Si)6/(Ge)6 superlattice has the lowest conduction-band ...

Adopting the empirical silicon interatomic potential of Stillinger and Weber, we investigate the effect of the tip profile on the atomic-force microscope images for a prototype system, Si(001)-(2×1), and conclude that the ...

We present the detailed results of self-consistent and geometry-optimized total-energy, band-structure, and charge-density calculations for a potassium-covered Si(001)-(2×1) surface, and for an unsupported potassium ...